ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

Fumitremorgin A

HCID 107713
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
12626-18-5
標準SMILES
COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3OCC=C(C)C
InChIKey
ACGHJVZDNQZJOV-BMOJZYMJSA-N
分子式
C32H41N3O7
平均分子量
579.7 g/mol
単同位体質量
579.29445066

概要

Fumitremorgin A is an organic heterohexacyclic compound that is a mycotoxic indole alkaloid obtained by prenylation of the 10-hydroxy group of verruculogen. It has a role as a mycotoxin. It is a diol, an organic peroxide, an aromatic ether, an indole alkaloid and an organic heterohexacyclic compound. It is functionally related to a verruculogen.

名称と識別子

優先名称
Fumitremorgin A
IUPAC
(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
英語名
Fumitremorgin A
分子式
C32H41N3O7
分子量
579.68

名称と別名

Fumitremorgin A12626-18-5ZR1C7949XTCHEBI:72766DTXSID30925479(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione(5R,10S,10aR,14aS,15bS)-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methylbut-2-en-1-yl)oxy]-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(H,13H)-dione(5R,10S,10aR,14aS,15bS)-10a-hydroxy-7-methoxy-2,2-dimethyl-10-((3-methylbut-2-en-1-yl)oxy)-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta(1,2,3-lm)indeno(5,6-b)fluorene-11,15(H,13H)-dione(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo(12.10.1.02,7.08,25.015,23.017,21)pentacosa-1(25),2(7),3,5-tetraene-16,22-dioneRefChem:921909DTXCID20135430723-hydroxy-5-methoxy-12,12-dimethyl-24-((3-methylbut-2-en-1-yl)oxy)-9-(2-methylprop-1-en-1-yl)-10,11-dioxa-8,15,21-triazahexacyclo(12.10.1.02,7.08,25.015,23.017,21)pentacosa-1(25),2(7),3,5-tetraene-16,22-dione

物性

構造計算による物性

XLogP
3.8
極性表面積
103 Ų
水素結合供与体数
1
水素結合受容体数
7
回転可能結合数
5
重原子数
42
形式電荷
0
複雑度
1,150

物理化学的性質

沸点
762.1 · 762.1±60.0 °C(Predicted)
比重(密度)
1.34 · 1.34±0.1 g/cm3(Predicted)
酸解離定数(Pka)
10.53 · 10.53±0.70(Predicted)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

毒性情報

Treatment · 1 件

To control severe tremors caused by tremorgenic mycotoxins, methocarbamol should be administered. Generalized seizures may be treated with diazepam followed by methocarbamol or a barbiturate such as pentobarbital sodium. Gastric lavage should be performed and activated charcoal administered to limit further absorption of toxins. (A744)

Health EffectsTremorgenic mycotoxins affect central nervous system activity. They cause a neurological disease of cattle known as "staggers syndrome". (A2976)
Exposure RoutesOral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Toxicity Summary · 1 件

Tremorgenic mycotoxins exert their toxic effects by interfering with neurotransmitter release, possibly by causing degeneration of nerve terminals. They are thought to inhibit gamma-aminobutyric acid (GABA) receptors, both pre- and postsynaptic, as well as inhibit transmitter breakdown at the GABA-T receptors. This would initially increase neurotransmitter levels, potentiating the GABA-induced chloride current, then lead to decreased levels of neurotransmitter in the synapse. (A2974, A2975, A2976)

Signs and Symptoms · 1 件

Tremorgenic mycotoxins affect central nervous system activity, inducing neurologic symptoms including mental confusion, paralysis, tremors, seizures, and death. They cause a neurological disease of cattle known as "staggers syndrome", which is characterized by muscle tremors and hyperexcitability. Fumitremorgin A exposure has also been shown to cause bradycardia, arrhythmia, and hypertension. (A2974, A3025)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

化学と産業

用途と製造

UsesFumitremorgin A (FTA) is mycotoxin isolated from Aspergillus fumigatus. (A3024)

応用分野

天然物の起源A tremorgenic toxin isolated as a metabolite of AspergillusJurnigatus. It is highly toxic.

サプライヤー6 社

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
青岛贞开生物医药技术有限公司0532-58268781 18561687109 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]
武汉丽合智造生物科技有限公司18971458902 · [email protected]

補足説明

定義ChEBI: An organic heterohexacyclic compound that is a mycotoxic indole alkaloid obtained by prenylation of the 10-hydroxy group of verruculogen.

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
名称をさらに表示
FUMITREMORGENAA Fumitremorgin AFumitremorgin A / Fumitremorgen A5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-propen-1-yl)-, (5R,10S,10aR,14aS,15bS)-
UNII-ZR1C7949XTFUMITREMORGEN ASCHEMBL1887086ACon1_001759BRD8008BRD-8008NCGC00180170-01NCGC00180170-02

データベース識別子

CAS
12626-18-5
PubChem CID
107713
DTXSID
DTXSID30925479
ChEBI
CHEBI:72766
UNII
ZR1C7949XT
Nikkaji
J152.196I